SCHEMBL4697607

SCHEMBL4697607

N=C(N)NC(=N)C[C@H]1C(=O)N(C(=O)NCCc2ccccc2)[C@@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 7/20 0.48
TPSD1 Q9BZJ3 6/20 0.48
TPSG1 Q9NRR2 6/20 0.48
ASAH1 Q13510 2/20 0.40
P2RX4 Q99571 2/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 4/20 0.37
F2 P00734 2/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4696831 0.90 TPSAB1 (0.39) TPSAB1TPSD1TPSG1P2RX4CASP3
SCHEMBL4698784 0.85 TPSAB1 (0.44) TPSAB1TPSD1TPSG1HRH3ALDH1A1
SCHEMBL4697341 0.83 TPSAB1 (0.58) TPSAB1TPSD1TPSG1ASAH1P2RX4
SCHEMBL4697345 0.83 TPSAB1 (0.58) TPSAB1TPSD1TPSG1ASAH1P2RX4
SCHEMBL3339780 0.82 TPSAB1 (0.60) TPSAB1TPSD1TPSG1ALDH1A1MAPT
SCHEMBL3335635 0.78 TPSAB1 (0.41) TPSAB1TPSD1TPSG1CASP3
SCHEMBL3336566 0.77 TPSAB1 (0.45) TPSAB1TPSD1TPSG1ALDH1A1NPSR1
SCHEMBL3336069 0.77 TPSAB1 (0.45) TPSAB1TPSD1TPSG1ALDH1A1NPSR1
SCHEMBL3333598 0.76 TPSAB1 (0.51) TPSAB1TPSD1TPSG1ALDH1A1RAB9A
SCHEMBL3336619 0.72 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 EP disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 WO disclosed